2-methyl-1-[5-(2-methyl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine

C12H16F3N5 — CID 178058263

IUPAC2-methyl-1-[5-(2-methyl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
SMILESCc1ncc(-c2cc(C(F)(F)F)nn2CC(C)(C)N)[nH]1
InChIInChI=1S/C12H16F3N5/c1-7-17-5-8(18-7)9-4-10(12(13,14)15)19-20(9)6-11(2,3)16/h4-5H,6,16H2,1-3H3,(H,17,18)
InChIKeyJFYOCIICHUNSKH-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.34
Rot. Bonds3

About 2-methyl-1-[5-(2-methyl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine

2-methyl-1-[5-(2-methyl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine (PubChem CID 178058263) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-methyl-1-[5-(2-methyl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[5-(2-methyl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
PubChem CID178058263
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC Name2-methyl-1-[5-(2-methyl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
SMILESCc1ncc(-c2cc(C(F)(F)F)nn2CC(C)(C)N)[nH]1
InChIInChI=1S/C12H16F3N5/c1-7-17-5-8(18-7)9-4-10(12(13,14)15)19-20(9)6-11(2,3)16/h4-5H,6,16H2,1-3H3,(H,17,18)
InChIKeyJFYOCIICHUNSKH-UHFFFAOYSA-N
XLogP2.34
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(2-methyl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine?
The IUPAC name of 2-methyl-1-[5-(2-methyl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine (CID 178058263) is 2-methyl-1-[5-(2-methyl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[5-(2-methyl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[5-(2-methyl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine is Cc1ncc(-c2cc(C(F)(F)F)nn2CC(C)(C)N)[nH]1.
What is the InChIKey of 2-methyl-1-[5-(2-methyl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine?
The InChIKey is JFYOCIICHUNSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c1-7-17-5-8(18-7)9-4-10(12(13,14)15)19-20(9)6-11(2,3)16/h4-5H,6,16H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-1-[5-(2-methyl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine?
2-methyl-1-[5-(2-methyl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine has a molecular weight of 287.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(2-methyl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine is sourced from PubChem (CID 178058263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).